data_global _chemical_name_mineral 'Chivruaiite' loop_ _publ_author_name 'Men'shikov Y P' 'Krivovichev S V' 'Pakhomovsky Y A' 'Yakovenchuk V N' 'Ivanyuk G Yu' 'Mikhailova J A' 'Armbruster T' 'Selivanova E A' _journal_name_full 'American Mineralogist' _journal_volume 91 _journal_year 2006 _journal_page_first 922 _journal_page_last 928 _publ_section_title ; Chivruaiite, Ca4(Ti,Nb)5[(Si6O17)2|(OH,O)5]*13-14H2O, a new mineral from hydrothermal veins of Khibiny and Lovozero alkaline massifs ; _database_code_amcsd 0004161 _chemical_compound_source 'Chivruai River valley, Kola peninsula, Russia' _chemical_formula_sum 'Ca.775 Sr.05 Mn.1 K.05 Ba.025 Ti1.03 Nb.22 Si3 O12.73 H6.34' _cell_length_a 7.1918 _cell_length_b 23.166 _cell_length_c 6.9472 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1157.440 _exptl_crystal_density_diffrn 2.355 _symmetry_space_group_name_H-M 'C m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,y,-z' '1/2+x,1/2+y,-z' '-x,-y,z' '1/2-x,1/2-y,z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Ca1 0.00000 0.13883 0.21450 0.35000 0.03200 Sr1 0.00000 0.13883 0.21450 0.02500 0.03200 Mn2 0.25000 0.25000 0.50000 0.10000 0.02400 Ca2 0.25000 0.25000 0.50000 0.07500 0.02400 K -0.85600 0.50000 0.50000 0.05000 0.12000 Ba -0.85600 0.50000 0.50000 0.02500 0.12000 Ti1 0.25000 0.25000 0.00000 0.78000 0.01720 Nb1 0.25000 0.25000 0.00000 0.22000 0.01720 Ti2 -0.50000 0.50000 0.03190 0.25000 0.02000 Si1 0.00000 0.33852 0.27054 1.00000 0.01430 Si2 0.09620 0.43567 0.00000 0.50000 0.01550 O1 0.00000 0.50000 0.00000 1.00000 0.02350 O2 0.00000 0.34540 0.50000 1.00000 0.03510 O3 0.00000 0.21976 0.00000 0.69600 0.01920 O-H3 0.00000 0.21976 0.00000 0.30400 0.01920 O4 0.18510 0.30653 0.20090 1.00000 0.03410 O5 0.00000 0.40438 0.18930 1.00000 0.03500 Wat6 0.00000 0.19860 0.50000 1.00000 0.07200 O7 0.31790 0.43870 0.04200 0.25000 0.02400 Wat8 -0.50000 0.50000 0.41400 0.30000 0.06400 O9 -0.50000 0.50000 0.26700 0.17400 0.04200 O-H9 -0.50000 0.50000 0.26700 0.07600 0.04200 Wat10 0.00000 0.50000 0.50000 0.34000 0.13000 Wat11 -0.50000 0.57830 0.50000 0.29000 0.08000 Wat12 0.41300 0.41100 0.00000 0.12000 0.08000 Wat13 -0.34000 0.56860 0.42500 0.19000 0.08000 Wat14 0.00000 0.09900 0.16600 0.11000 0.08000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ca1 0.01650 0.02470 0.05500 0.00000 0.00000 0.01400 Sr1 0.01650 0.02470 0.05500 0.00000 0.00000 0.01400 Mn2 0.02300 0.03700 0.01200 0.00800 0.00000 0.00000 Ca2 0.02300 0.03700 0.01200 0.00800 0.00000 0.00000 Ti1 0.02240 0.01560 0.01370 0.00670 0.00000 0.00000 Nb1 0.02240 0.01560 0.01370 0.00670 0.00000 0.00000 Ti2 0.01710 0.01060 0.03300 0.00000 0.00000 0.00000 Si1 0.01730 0.01610 0.00960 0.00000 0.00000 -0.00020 Si2 0.01520 0.01010 0.02110 -0.00070 0.00000 0.00000 O1 0.02400 0.01100 0.03500 0.00000 0.00000 0.00000 O2 0.06800 0.02800 0.01000 0.00000 0.00000 0.00000 O3 0.01400 0.01600 0.02800 0.00000 0.00000 0.00000 O-H3 0.01400 0.01600 0.02800 0.00000 0.00000 0.00000 O4 0.01910 0.04070 0.04300 0.00710 -0.00400 -0.02700 O5 0.06700 0.01820 0.02000 0.00000 0.00000 0.00300 Wat6 0.09000 0.07100 0.05600 0.00000 0.00000 0.00000 O7 0.01300 0.02000 0.04000 -0.00100 0.00000 0.00000